| SpectraBase Compound ID | 8odq3LwAjTi |
|---|---|
| InChI | InChI=1S/C17H25N6O10PS/c1-8(24)22-9(17(27)28)2-3-35-7-21-14-11-15(19-5-18-14)23(6-20-11)16-13(26)12(25)10(33-16)4-32-34(29,30)31/h5-6,9-10,12-13,16,25-26H,2-4,7H2,1H3,(H,22,24)(H,27,28)(H,18,19,21)(H2,29,30,31)/p-2/t9-,10+,12+,13+,16+/m1/s1 |
| InChIKey | BUWIUPFGMKNEML-SSHPZETRSA-L |
| Mol Weight | 534.44 g/mol |
| Molecular Formula | C17H23N6O10PS |
| Exact Mass | 534.093399 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | D857ycj1ibi |
|---|---|
| Name | N6-(S-(N-Acetyl)-homocysteinyl)-methyladenosine-5'-phosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 534.093399127 u |
| Formula | C17H23N6O10PS |
| InChI | InChI=1S/C17H25N6O10PS/c1-8(24)22-9(17(27)28)2-3-35-7-21-14-11-15(19-5-18-14)23(6-20-11)16-13(26)12(25)10(33-16)4-32-34(29,30)31/h5-6,9-10,12-13,16,25-26H,2-4,7H2,1H3,(H,22,24)(H,27,28)(H,18,19,21)(H2,29,30,31)/p-2/t9-,10+,12+,13+,16+/m1/s1 |
| InChIKey | BUWIUPFGMKNEML-SSHPZETRSA-L |
| Molecular Weight | 534.437 g/mol |
| SMILES | C(=O)(C)N[C@@](C(=O)O)(CCSCNC1=NC=NC=2N(C=NC12)[C@@]1([C@@](O)([C@@](O)([C@@](O1)(COP(=O)([O-])[O-])[H])[H])[H])[H])[H] |